DataVXACS Applied Energy MaterialsPaper
journal article·2020-04-27Open access

Electrochemical Properties and Crystal Structure of Li + /H + Cation-Exchanged LiNiO 2

Takahiro Toma, Ryo Maezono, Kenta Hongo

ACS Applied Energy Materials· Volume 3· Issue 4
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Abstract

High Resolution Image Download MS PowerPoint Slide LiNiO 2 has high energy density but readily reacts with moisture in the atmosphere and deteriorates. We performed qualitative and quantitative evaluations of the degraded phase of LiNiO 2 and the influence of the structural change on the electrochemical properties of the phase. The formation of the Li 1– x H x NiO 2 phase with cation exchange between Li + and H + was confirmed by thermogravimetric analysis and Karl Fischer titration measurement. As the H concentration in Li 1– x H x NiO 2 increased, the rate capability deteriorated, especially in the low-temperature range and under low state of charge. Experimental and density functional theory (DFT) calculation results suggested that this outcome was attributed to an increased activation energy of Li + diffusion because of cation exchange. Rietveld analysis of X-ray diffraction and DFT calculation confirmed that the c lattice parameter and Li–O layer decreased because of the Li + /H + cation exchange. These results indicate that LiNiO 2 reacting with moisture in the atmosphere has a narrowed Li–O layer, which is the Li diffusion path, and the rate characteristics are degraded.
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Research context

OpenAlex topics: Advancements in Battery Materials · Advanced Battery Materials and Technologies · Chemical and Physical Properties of Materials

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Affiliations

Battery Research Laboratories Sumitomo Metal Mining Co., Ltd., Isoura-cho 17-3, Niihama, Ehime 792-0002, Japan

School of Information Science, JAIST, Asahidai 1-1, Nomi, Ishikawa 923-1292, Japan

Computational Engineering Applications Unit, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan

Research Center for Advanced Computing Infrastructure, JAIST, Asahidai 1-1, Nomi, Ishikawa 923-1292, Japan

PRESTO, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi-shi, Saitama 322-0012, Japan

Center for Materials Research by Information Integration, Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan

Funding

Ministry of Education, Culture, Sports, Science and Technology · Air Force Office of Scientific Research · Precursory Research for Embryonic Science and Technology · Japan Society for the Promotion of Science · Japan Science and Technology Agency · KAKENHI

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